Machine learning assisted force field development for nucleic acids
Bilişim Enstitüsü, İstanbul Teknik Üniversitesi, 2024
GÖZDE İNİŞ DEMİR
|
Optimization of CHARMM force field parameters for ryanodine receptor inhibitory drug dantrolene using FFTK and FFParam
Journal of Molecular Modeling, Vol. 30, Ocak 2024, ISSN: 1610-2940
AKCAY SALİHA NUR,SAYLAN CEMİL CAN,TEKİN ADEM,BADAY SEFER
|
Towards the crystal structure of thymine: An intermolecular force field development and parallel global cluster optimizations
JOURNAL OF CHEMICAL PHYSICS, Vol. 151, No. 24, Aralık 2019, s. 244302, ISSN: 0021-9606
TEKİN ADEM
|
NICE-FF: A Non-empirical, Intermolecular, Consistent and Extensible Force Field for Nucleic Acids and Beyond
JOURNAL OF CHEMICAL PHYSICS, Vol. 159, Aralık 2023, s. 244117, ISSN: 0021-9606
İNİŞ DEMİR GÖZDE, TEKİN ADEM
|
Interfacial analysis of mixed-matrix membranes under exposure to high-pressure CO2
JOURNAL OF MEMBRANE SCIENCE, Vol. 607, Ocak 2020, ISSN: 0376-7388
BALÇIK MARCEL,ERSOLMAZ ŞERİFE BİRGÜL,AHUNBAY MEHMET GÖKTUĞ
|
Protein Folding Simulations Using ECEPP Force Field with Single Solution Based Metaheuristics
IDAP 2016, Malatya/TÜRKİYE, 17 Eylül 2016, s. 104-108
DOĞAN BERAT,ÖLMEZ TAMER
|
Development of the ReaxFF Reactive Force Field for Inherent Point Defects in the Si/Silica System
The Journal of Physical Chemistry A, Vol. 123, No. 19, Mayıs 2019, s. 4303-4313, ISSN: 1089-5639
NAYİR NADİRE,VAN DUİN ADRİ,ERKOÇ ŞAKİR
|
A ReaxFF Force Field for 2D-WS<sub>2<\/sub> and Its Interaction with Sapphire
The Journal of Physical Chemistry C, Vol. 125, Ağustos 2021, ISSN: 1932-7447
NAYİR NADİRE, SHİN YUN, WANG YUANXİ, ŞENGÜL MERT, HİCKEY DANİELLE, CHUBAROV MİKHAİL, CHOUDHURY TANUSHREE, ALEM NASİM, JOAN REDWİNG, CRESPİ VİNCENT, VAN DUİN ADRİ
|
Tuning Heteropolar Bonding Strengths of Pair atoms in a Multicomponent Si/O/Ge Systems at Tersoff Level: A Molecular Dynamics Study
Başkent 2. Uluslararası Multidisiplinler Bilimsel Çalışmalar Kongresi, 24 Şubat 2022
NAYİR NADİRE
|
Modeling for Structural Engineering and Synthesis of Two-Dimensional WSe<sub>2<\/sub> Using a Newly Developed ReaxFF Reactive Force Field
The Journal of Physical Chemistry C, Vol. 124, Ocak 2020, ISSN: 1932-7447
NAYİR NADİRE, WANG YUANXİ, SHABNAM SHARMİN, HİCKEY DANİELLE, MİAO LEİXİN, ZHANG XİAOTİAN, BACHU SAİPHANEENDRA, ALEM NASİM, JOAN REDWİNG, CRESPİ VİNCENT, VAN DUİN ADRİ
|
A New Computational Framework for Structural Characterization and Edge-Growth Kinetics of Transition Metal Dichalcogenides—Reaxff Reactive Force Field
2021 MRS Fall Meeting and Exhibit, Boston/AMERİKA BİRLEŞİK DEVLETLERİ, 30 Kasım 2021
NAYİR NADİRE, WANG YUANXİ, HİCKEY DANİELLE, Jİ YANZHOU, CHOUDHURY TANUSHREE, CHEN LONG QİNG, ALEM NASİM, JOAN REDWİNG, CRESPİ VİNCENT, VAN DUİN ADRİ
|
Development of a ReaxFF Reactive Force Field for Interstitial Oxygen in Germanium and Its Application to GeO<sub>2<\/sub>/Ge Interfaces
The Journal of Physical Chemistry C, Vol. 123, No. 2, Aralık 2018, s. 1208-1218, ISSN: 1932-7447
NAYİR NADİRE,VAN DUİN ADRİ,ERKOÇ ŞAKİR
|
Oxidation and hydrogenation of monolayer MoS2 with compositing agent under environmental exposure: The ReaxFF Mo/Ti/Au/O/S/H force field development and applications
Frontiers Media SA, Vol. 4, Ekim 2022, ISSN: 2673-3013
MAO QİAN, ZHANG YUWEİ, NAYİR NADİRE, KOWALİK MALGORZATA, VAN DUİN ADRİ, CHANDROSS MİCHAEL
|
Optimization of CHARMM force field parameters of a prostate cancer drug enzalutamide
Journal of Molecular Graphics and Modelling, Vol. 96, No. 107541, Mayıs 2020, s. 1-9, ISSN: 1093-3263
BADAY SEFER
|
Optimization of CHARMM force field parameters for ryanodine receptor inhibitory drug dantrolene using FFTK and FFParam
Journal of Molecular Modeling, Vol. 30, No. 2, Ocak 2024, ISSN: 1610-2940
AKCAY SALİHA NUR,SAYLAN CEMİL CAN,TEKİN ADEM,BADAY SEFER
|